N-methyl-N-[(1R)-1-[1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]thiophene-3-carboxamide

Systemtic Name: N-methyl-N-[(1R)-1-[1-[(4-oxidanylidenechromen-3-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]thiophene-3-carboxamide Openeye Name: N-methyl-N-[(1R)-1-[1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]thiophene-3-carboxamide CAS Name: N-methyl-N-[(1R)-1-[1-[(4-oxo-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-3-thiophenecarboxamide IUPAC Name: N-methyl-N-[(1R)-1-[1-[(4-oxochromen-3-yl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]thiophene-3-carboxamide Traditional Name: N-[(1R)-1-[1-[(4-ketochromen-3-yl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-3-carboxamide Formula: C29H31N2O3S+ MolecularWeight: 487.63304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C(=O)C5=CSC=C5

Isomeric SMILES

CN([C@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=COC4=CC=CC=C4C3=O)C(=O)C5=CSC=C5

InChI

InChI=1S/C29H30N2O3S/c1-30(29(33)23-13-16-35-20-23)26(17-21-7-3-2-4-8-21)22-11-14-31(15-12-22)18-24-19-34-27-10-6-5-9-25(27)28(24)32/h2-10,13,16,19-20,22,26H,11-12,14-15,17-18H2,1H3/p+1/t26-/m1/s1